CAS 121-24-4|GLUTATHIONE OXIDIZED|2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid|(β-L-Gl...

General Information

Structure

Molecular Formula

C₂₀H₃₂N₆O₁₂S₂

Molecular Mass

612.63108

Exact Mass

612.15196249

Charge

InChI

InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)

InChIKey

YPZRWBKMTBYPTK-UHFFFAOYSA-N

Canonic Smiles

O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N

Isomeric Smiles

NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O

Calculated Properties

JChem

Acid pKa

1.438368

H Acceptors

H Donor

LogD (pH = 5.5)

-13.715199

LogD (pH = 7.4)

-16.599508

Log P

-10.109055

Molar Refractivity

136.6544

Polarizability

54.28691

Polar Surface Area

317.64

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

975

Data Source

Names and Identifiers

Synonyms

GLUTATHIONE OXIDIZED(β-L-Glutamyl-L-cysteinylglycine)₂GSSG5,5'-((disulfanediylbis(1-((carboxymethyl)amino)-1-oxopropane-3,2-diyl))bis(azanediyl))bis(2-amino-5-oxopentanoic acid)

IUPAC name

2-amino-4-[(2-{[2-(4-amino-4-carboxybutanamido)-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl)carbamoyl]butanoic acid

IUPAC Traditional name

@oxidized glutathione disulfide oxiglutatione

Names and Identifiers

Registration numbers

CAS Number

121-24-4

PubChem CID

975

PubChem SID

162090872

Registration numbers

Properties